| Identification | Back Directory | [Name]
FT-113 | [CAS]
1630808-89-7 | [Synonyms]
FT-113
FT113;F113;FT 113
Methanone, [4-[4-(6-fluoro-2-benzoxazolyl)benzoyl]-1-piperazinyl](1-hydroxycyclopropyl)- | [Molecular Formula]
C22H20FN3O4 | [MOL File]
1630808-89-7.mol | [Molecular Weight]
409.41 |
| Chemical Properties | Back Directory | [Boiling point ]
637.6±55.0 °C(Predicted) | [density ]
1.456±0.06 g/cm3(Predicted) | [storage temp. ]
Store at -20°C | [solubility ]
DMSO : 62.5 mg/mL (152.66 mM; Need ultrasonic) | [form ]
Solid | [pka]
13.92±0.20(Predicted) | [color ]
White to off-white | [InChI]
InChI=1S/C22H20FN3O4/c23-16-5-6-17-18(13-16)30-19(24-17)14-1-3-15(4-2-14)20(27)25-9-11-26(12-10-25)21(28)22(29)7-8-22/h1-6,13,29H,7-12H2 | [InChIKey]
DSTWHRGOCUOKDE-UHFFFAOYSA-N | [SMILES]
C(N1CCN(C(=O)C2=CC=C(C3=NC4=CC=C(F)C=C4O3)C=C2)CC1)(C1(O)CC1)=O |
| Hazard Information | Back Directory | [Uses]
FT113 is a potent and orally active fatty acid synthase (FASN) inhibitor, with an IC50 of 213 nM for full-length recombinant human FASN enzyme. In cell-based assay, FT113 blocks FASN activity in BT474 cells (IC50, 90 nM). FT113 shows anti-proliferative activity, and exhibits anti-cancer activity both in vitro and in vivo[1]. | [in vivo]
FT113 (5 mg/kg, p.o.) exhibits potent oral bioavailability of 95% and 84% in mice and rats, respectively[1].
?
FT113 (5, 25, or 50 mg/kg, p.o., twice daily for 16 days) increases malonyl-CoA concentration in tumors, inhibits tumor growth in a dose-dependent manner in mice[1]. | Animal Model: | Athymic nude mice bearing MV-411 cells[1] | | Dosage: | 5, 25, or 50 mg/kg | | Administration: | P.O., twice daily for 16 days | | Result: | Caused 32 % and 50% tumor growth inhibition at 25 and 50 mg/kg, respectively in mice. |
| [storage]
Store at -20°C | [References]
[1] Martin MW, et al. Discovery and optimization of novel piperazines as potent inhibitors of fatty acid synthase (FASN). Bioorg Med Chem Lett. 2019 Apr 15;29(8):1001-1006. DOI:10.1016/j.bmcl.2019.02.012 |
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